2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzylpropanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-benzyl-propionamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C18H25N5OS/c1-13(17(24)20-12-14-8-4-2-5-9-14)25-18-22-21-16(23(18)19)15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12,19H2,1H3,(H,20,24)